1-Methyl-5-(trifluoromethyl)pyrazole-4-carboxylic Acid → HCID 178433029, 화합물
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[CH3:24][n:25]1[n:26][cH:27][c:28]([C:34](=[O:35])[OH:36])[c:29]1[C:30]([F:31])([F:32])[F:33].[NH2:1][CH2:2][CH:3]1[N:4]([C:9](=[O:10])[c:11]2[n:12][c:13]([CH3:23])[s:14][c:15]2-[c:16]2[cH:17][c:18]([F:22])[cH:19][cH:20][cH:21]2)[CH:5]2[CH2:6][CH:7]2[CH2:8]1>>[NH:1]([CH2:2][CH:3]1[N:4]([C:9](=[O:10])[c:11]2[n:12][c:13]([CH3:23])[s:14][c:15]2-[c:16]2[cH:17][c:18]([F:22])[cH:19][cH:20][cH:21]2)[CH:5]2[CH2:6][CH:7]2[CH2:8]1)[C:34]([c:28]1[cH:27][n:26][n:25]([CH3:24])[c:29]1[C:30]([F:31])([F:32])[F:33])=[O:35]참가 물질
3
출처 및 근거
- ORD 기록
- ord-c0378ffe4cc64c9b80c7e15f601a9fe0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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